| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1cccnc1C=C)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H19N3O2/c1-2-13-11(5-3-7-17-13)9-14(19)18-8-4-6-12(10-18)15(16)20/h2-3,5,7,12H,1,4,6,8-10H2,(H2,16,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | LWVTYFMYDOBVLG-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccnc2C=C |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccnc2C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C=Cc1c(cccn1)CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C=Cc1c(cccn1)CC(=O)N2CCCC(C2)C(=O)N |
